4-chloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide

C18H16ClF3N2O2 — CID 42908391

IUPAC4-chloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16ClF3N2O2/c1-11(24-17(26)13-5-7-15(19)8-6-13)16(25)23-10-12-3-2-4-14(9-12)18(20,21)22/h2-9,11H,10H2,1H3,(H,23,25)(H,24,26)
InChIKeyQPXKERRFDGECSG-UHFFFAOYSA-N
MW384.79 g/mol
LogP3.79
Rot. Bonds5

About 4-chloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide

4-chloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide (PubChem CID 42908391) has the molecular formula C18H16ClF3N2O2 and a molecular weight of 384.79 g/mol. Its IUPAC name is 4-chloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
PubChem CID42908391
Molecular FormulaC18H16ClF3N2O2
Molecular Weight384.79 g/mol
Exact Mass384.09
IUPAC Name4-chloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16ClF3N2O2/c1-11(24-17(26)13-5-7-15(19)8-6-13)16(25)23-10-12-3-2-4-14(9-12)18(20,21)22/h2-9,11H,10H2,1H3,(H,23,25)(H,24,26)
InChIKeyQPXKERRFDGECSG-UHFFFAOYSA-N
XLogP3.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.79
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 166191071
N-[(2S)-1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide
CID 94031986
2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 4877482
(2R)-2-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 99864872
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide
CID 8750240
(2S)-2-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 100546648
(2R)-2-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 100546639
2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 79196060
(2S)-2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 26241557
2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 43001904
N-[1-oxo-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-2-yl]benzamide
CID 55712296
[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 4-chlorobenzoate
CID 46860400

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide (CID 42908391) is 4-chloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide is CC(NC(=O)c1ccc(Cl)cc1)C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide?
The InChIKey is QPXKERRFDGECSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O2/c1-11(24-17(26)13-5-7-15(19)8-6-13)16(25)23-10-12-3-2-4-14(9-12)18(20,21)22/h2-9,11H,10H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 4-chloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide?
4-chloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide has a molecular weight of 384.79 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide is sourced from PubChem (CID 42908391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).